3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one

C15H11ClO3 — CID 2899681

IUPAC3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one
SMILESCOC1(c2ccc(Cl)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C15H11ClO3/c1-18-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(17)19-15/h2-9H,1H3
InChIKeyGIRCIBDWDIADAZ-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.36
Rot. Bonds2

About 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one

3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one (PubChem CID 2899681) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one
PubChem CID2899681
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one
SMILESCOC1(c2ccc(Cl)cc2)OC(=O)c2ccccc21
InChIInChI=1S/C15H11ClO3/c1-18-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(17)19-15/h2-9H,1H3
InChIKeyGIRCIBDWDIADAZ-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one (CID 2899681) is 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one is COC1(c2ccc(Cl)cc2)OC(=O)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one?
The InChIKey is GIRCIBDWDIADAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c1-18-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(17)19-15/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one?
3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one has a molecular weight of 274.70 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methoxy-2-benzofuran-1-one is sourced from PubChem (CID 2899681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).